Uscharidin (BioDeep_00000007035)

PANOMIX_OTCML-2023 natural product

代谢物信息卡片

(1S,3R,5S,7R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-9-oxo-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde

化学式: C29H38O9 (530.2516)
中文名称:
谱图信息: 最多检出来源 Chinese Herbal Medicine(otcml) 55.52%

分子结构信息

SMILES: C1[C@@]2([H])O[C@@]3(O)C(=O)C[C@@H](C)O[C@@]3([H])O[C@]2([H])C[C@]2([H])CC[C@@]3([H])[C@]4(CC[C@H](C5=CC(=O)OC5)[C@@]4(C)CC[C@]3([H])[C@@]12C=O)O
InChI: InChI=1S/C29H38O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-22,25,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,25+,26-,27-,28+,29+/m1/s1

描述信息

同义名列表

15 个代谢物同义名

Uscharidin; Uscharidin; (1S,3R,5S,7R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-9-oxo-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo(12.11.0.03,12.05,10.015,23.018,22)pentacosane-14-carbaldehyde; (1S,3R,5S,7R,10R,12R,14R,15S,18R,19R,22S,23R)-10,22-dihydroxy-7,18-dimethyl-9-oxo-19-(5-oxo-2H-furan-3-yl)-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane-14-carbaldehyde; (2.ALPHA.,3.BETA.,5.ALPHA.)-14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE; (2ALPHA,3BETA,5ALPHA)-14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))CARD-20(22)-ENOLIDE; 14-Hydroxy-19-oxo-2,3-((tetrahydro-3-hydroxy-6-methyl-4-oxo-2H-pyran-3,2-diyl)bis(oxy))card-20(22)-enolide (2alpha(2S,3R,6R),3beta,5alpha)-; 2GU13C5298; 3a,11a-Dihydroxy-9,15a-dimethyl-11-oxo-1-(5-oxo-2,5-dihydrofuran-3-yl)icosahydro-7aH,13aH-cyclopenta[7,8]phenanthro[2,3-b]pyrano[3,2-e][1,4]dioxine-13a-carbaldehyde; 4-18-00-03125 (Beilstein Handbook Reference); CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2.ALPHA.,3.BETA.,5.ALPHA.)-; CARD-20(22)-ENOLIDE, 14-HYDROXY-19-OXO-2,3-(((2S,3R,6R)-TETRAHYDRO-3-HYDROXY-6-METHYL-4-OXO-2H-PYRAN-3,2-DIYL)BIS(OXY))-, (2ALPHA,3BETA,5ALPHA)-; Card-20(22)-enolide, 14-hydroxy-19-oxo-2,3-((tetrahydro-3-hydroxy-6-methyl-4-oxo-2H-pyran-3,2-diyl)bis(oxy))-, (2alpha(2S,3R,6R),3beta,5alpha)-; UNII-2GU13C5298; USCHARIDIN [MI]

数据库引用编号

15 个数据库交叉引用编号

ChEBI: CHEBI:9913
KEGG: C08883
PubChem: 441874
PubChem: 4482834
Metlin: METLIN67242
ChEMBL: CHEMBL449207
LipidMAPS: LMST01120054
CAS: 24321-47-9
PMhub: MS000020269
PubChem: 11076
KNApSAcK: C00003640
3DMET: B02491
NIKKAJI: J31.873F
KNApSAcK: 9913
LOTUS: LTS0225602

分类词条

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

31 个相关的物种来源信息

4056 - Apocynaceae: LTS0225602
21199 - Asclepias: LTS0225602
52823 - Asclepias curassavica:
52823 - Asclepias curassavica: 10.1016/0031-9422(83)85022-5
52823 - Asclepias curassavica: 10.1016/0031-9422(90)85261-D
52823 - Asclepias curassavica: 10.1016/0031-9422(91)85104-8
52823 - Asclepias curassavica: 10.1016/J.BMCL.2009.02.045
52823 - Asclepias curassavica: 10.1016/S0031-9422(00)89575-8
52823 - Asclepias curassavica: 10.1021/NP0501740
52823 - Asclepias curassavica: 10.1039/P19830002827
52823 - Asclepias curassavica: 10.1248/CPB.56.1159
52823 - Asclepias curassavica: LTS0225602
528300 - Asclepias subulata: 10.1016/S0031-9422(00)84515-X
528300 - Asclepias subulata: LTS0225602
4065 - Calotropis: LTS0225602
141467 - Calotropis procera: 10.1021/JF00117A012
141467 - Calotropis procera: LTS0225602
2759 - Eukaryota: LTS0225602
126757 - Gomphocarpus: LTS0225602
219240 - Gomphocarpus fruticosus: 10.1039/P19830002827
219240 - Gomphocarpus fruticosus: LTS0225602
528307 - Gomphocarpus fruticosus subsp. fruticosus: 10.1039/P19830002827
528307 - Gomphocarpus fruticosus subsp. fruticosus: LTS0225602
4136 - Lamiaceae: LTS0225602
3398 - Magnoliopsida: LTS0225602
35493 - Streptophyta: LTS0225602
49990 - Thymus: LTS0225602
49992 - Thymus vulgaris: 10.1016/S0021-9673(00)00231-4
49992 - Thymus vulgaris: LTS0225602
58023 - Tracheophyta: LTS0225602
33090 - Viridiplantae: LTS0225602

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。

亚细胞结构定位		关联基因列表
Cytoplasm	3	CYP1A1, INA, MYC
Peripheral membrane protein	1	CYP1A1
Endoplasmic reticulum membrane	1	CYP1A1
Nucleus	2	MYC, PCNA
nuclear body	1	PCNA
centrosome	1	PCNA
nucleoplasm	2	MYC, PCNA
Cell membrane	1	KIT
mitochondrial inner membrane	1	CYP1A1
acrosomal vesicle	1	KIT
plasma membrane	1	KIT
Membrane	2	KIT, MYC
extracellular exosome	1	PCNA
extracellular space	2	INA, KIT
Schaffer collateral - CA1 synapse	1	INA
mitochondrion	1	CYP1A1
protein-containing complex	1	MYC
intracellular membrane-bounded organelle	1	CYP1A1
Microsome membrane	1	CYP1A1
Single-pass type I membrane protein	1	KIT
cytoplasmic side of plasma membrane	1	KIT
external side of plasma membrane	1	KIT
nucleolus	1	MYC
cell-cell junction	1	KIT
Mitochondrion inner membrane	1	CYP1A1
intermediate filament	1	INA
receptor complex	1	KIT
chromatin	2	MYC, PCNA
cytoplasmic ribonucleoprotein granule	1	INA
Nucleus, nucleolus	1	MYC
nuclear replication fork	1	PCNA
chromosome, telomeric region	1	PCNA
fibrillar center	1	KIT
nuclear envelope	1	MYC
Nucleus, nucleoplasm	1	MYC
replication fork	1	PCNA
[Isoform 3]: Cytoplasm	1	KIT
male germ cell nucleus	1	PCNA
RNA polymerase II transcription repressor complex	1	MYC
neurofilament	1	INA
nuclear lamina	1	PCNA
Rough endoplasmic reticulum	1	MYC
cyclin-dependent protein kinase holoenzyme complex	1	PCNA
Myc-Max complex	1	MYC
postsynaptic intermediate filament cytoskeleton	1	INA
PCNA complex	1	PCNA
PCNA-p21 complex	1	PCNA
replisome	1	PCNA
nucleoplasmic reticulum	1	MYC

文献列表

Jun-Zhu Li, Chen Qing, Chang-Xiang Chen, Xiao-Jiang Hao, Hai-Yang Liu. Cytotoxicity of cardenolides and cardenolide glycosides from Asclepias curassavica. Bioorganic & medicinal chemistry letters. 2009 Apr; 19(7):1956-9. doi: 10.1016/j.bmcl.2009.02.045. [PMID: 19251412]
Michael C Roy, Fang-Rong Chang, Hsiao-Chu Huang, Michael Y-N Chiang, Yang-Chang Wu. Cytotoxic principles from the formosan milkweed, Asclepias curassavica. Journal of natural products. 2005 Oct; 68(10):1494-9. doi: 10.1021/np0501740. [PMID: 16252914]